Crystallography Open Database

Information card for entry 4001247

Preview

Coordinates	4001247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H51 N4 O10.5 Zn2
Calculated formula	C46 H46 N4 O10.5 Zn2
Title of publication	In Situ Synthesis of Tetradentate Dye for Construction of Three-Dimensional Homochiral Phosphor.
Authors of publication	Zhang, Jian; Wu, Tao; Feng, Pingyun; Bu, Xianhui
Journal of publication	Chemistry of materials : a publication of the American Chemical Society
Year of publication	2008
Journal volume	20
Journal issue	17
Pages of publication	5457 - 5459
a	12.8678 ± 0.0007 Å
b	11.695 ± 0.0005 Å
c	15.7404 ± 0.0008 Å
α	90°
β	97.791 ± 0.004°
γ	90°
Cell volume	2346.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1272
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1702
Weighted residual factors for all reflections included in the refinement	0.1981
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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